1TQN

Crystal Structure of Human Microsomal P450 3A4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	77.153, 99.615, 132.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.2411
Rwork	0.238
R-free	0.29350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.619
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	34583
<I/σ(I)>	17.8
Completeness [%]	99.1	94.7
Redundancy		3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 5000 MME, Hepes, erythromycin, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K